4-[2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzene-1,2-diol

C17H21N3O2 — CID 133461658

IUPAC4-[2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzene-1,2-diol
SMILESCc1nc2c(c(NCCc3ccc(O)c(O)c3)n1)CCCC2
InChIInChI=1S/C17H21N3O2/c1-11-19-14-5-3-2-4-13(14)17(20-11)18-9-8-12-6-7-15(21)16(22)10-12/h6-7,10,21-22H,2-5,8-9H2,1H3,(H,18,19,20)
InChIKeyCZTDSFNLTHHPOU-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.73
Rot. Bonds4

About 4-[2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzene-1,2-diol

4-[2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzene-1,2-diol (PubChem CID 133461658) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzene-1,2-diol
PubChem CID133461658
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name4-[2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzene-1,2-diol
SMILESCc1nc2c(c(NCCc3ccc(O)c(O)c3)n1)CCCC2
InChIInChI=1S/C17H21N3O2/c1-11-19-14-5-3-2-4-13(14)17(20-11)18-9-8-12-6-7-15(21)16(22)10-12/h6-7,10,21-22H,2-5,8-9H2,1H3,(H,18,19,20)
InChIKeyCZTDSFNLTHHPOU-UHFFFAOYSA-N
XLogP2.73
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N'-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)ethane-1,2-diamine
CID 83833536
2-methyl-N-[(E)-pent-3-enyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133460830
N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133460998
4-[2-[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]benzene-1,2-diol
CID 133349530
N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190766
4-[2-[(5-methylquinazolin-4-yl)amino]ethyl]benzene-1,2-diol
CID 133349192
4-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzenesulfonamide
CID 72907968
methyl 2-[3-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]phenoxy]acetate
CID 133460829
N-[2-(3-methylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62832435
2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133461644
4-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-quinolin-2-one
CID 133461177
2-methyl-N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145315

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzene-1,2-diol?
The IUPAC name of 4-[2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzene-1,2-diol (CID 133461658) is 4-[2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzene-1,2-diol.
What is the SMILES notation for 4-[2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzene-1,2-diol?
The canonical SMILES for 4-[2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzene-1,2-diol is Cc1nc2c(c(NCCc3ccc(O)c(O)c3)n1)CCCC2.
What is the InChIKey of 4-[2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzene-1,2-diol?
The InChIKey is CZTDSFNLTHHPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-19-14-5-3-2-4-13(14)17(20-11)18-9-8-12-6-7-15(21)16(22)10-12/h6-7,10,21-22H,2-5,8-9H2,1H3,(H,18,19,20).
What are the key properties of 4-[2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzene-1,2-diol?
4-[2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzene-1,2-diol has a molecular weight of 299.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzene-1,2-diol is sourced from PubChem (CID 133461658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).